⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3540715 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11164491 | 0.98 | — | — | |
| SCHEMBL18891328 | 0.70 | — | — | |
| SCHEMBL6014488 | 0.69 | — | — | |
| SCHEMBL7092335 | 0.67 | ABAT (0.39) | — | |
| SCHEMBL2909738 | 0.67 | ABAT (0.39) | — | |
| SCHEMBL6822256 | 0.67 | ABAT (0.39) | — | |
| SCHEMBL3391091 | 0.65 | — | — | |
| SCHEMBL262551 | 0.65 | — | — | |
| SCHEMBL3391829 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112341350-A | Method for treating by-product after enzymatic resolution of gamma-lactam | 江苏威奇达药业有限公司 | 2021-02-09 | — | — | CN | claimed |
| CN-112341350-A | Method for treating by-product after enzymatic resolution of gamma-lactam | 江苏威奇达药业有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-112341350-A | Method for treating by-product after enzymatic resolution of gamma-lactam | 江苏威奇达药业有限公司 | 2021-02-09 | — | — | CN | disclosed |
| JP-2010106025-A | PROCESS FOR PREPARATION OF (1S, 4R)-OR (1R, 4S)-4-(2-AMINO-6-CHLORO-9H-PURINE-9-YL)-2-CYCLOPENTENE-1-METHANOL | LONZA AG | 2010-05-13 | — | — | JP | disclosed |